4-Bromo-2-nitrobenzyl alcohol
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4-Bromo-2-nitrobenzyl alcohol
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CAS No:
22996-19-6
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Formula:
C7H6BrNO3
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Chemical Name:
4-Bromo-2-nitrobenzyl alcohol
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Synonyms:
4-BROMO-2-NITROBENZYL ALCOHOL;(4-bromo-2-nitrophenyl)methanol;REF DUPL: 4-Bromo-2-nitrobenzyl alcohol;Benzenemethanol, 4-bromo-2-nitro-;4-Bromo-2-nitrobenzy Alcohol
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CAS No:
4-Bromo-2-nitrobenzyl alcohol Use and Manufacturing
Step 1. Borane tetrahydrofuran complex solution (1 M in tetrahydrofuran, 13 mL, 13 mmol) was added over 5 min to a solution of 4-bromo-2-nitrobenzoic acid (2.00 g, 8.13 mmol) at room temperature, then after 72 h the reaction mixture was carefully poured upon sat. aq. sodium hydrogencarbonate solution and extracted with ethyl acetate. The organic layer was dried (MgSOExample 25 Synthesis of 4-(7-( 1 -isobutyl- 1 H-pyrazol-4-yl)quinazolin-2-ylamino)-N-(3-(pyrrolidin- 1 - yl)propyl)benzenesulfonamide (Compound 709)Stepl. (4-Bromo-2-nitrophenyl)methanolTo a 0.5M suspension of 4-bromo-2-nitrobenzoic acid in THF in an ice bath was slowly added borane (1.0M /THF, 4eq). The reaction mixture was stirred at ambient temperature for 48 h. LCMS showed the reaction was complete. The mixture was recooled to 0Preparation of Compound 217, (4-bromo-2-nitrophenyl)methanol
Computed Properties
Molecular Weight:232.03
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:230.95311
Monoisotopic Mass:230.95311
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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